trans-(1R,2R)-2-(3-bromofuran-2-yl)cyclopropane-1-carboxylic acid

C8H7BrO3 — CID 155978471

IUPACtrans-(1R,2R)-2-(3-bromofuran-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1occc1Br
InChIInChI=1S/C8H7BrO3/c9-6-1-2-12-7(6)4-3-5(4)8(10)11/h1-2,4-5H,3H2,(H,10,11)/t4-,5-/m1/s1
InChIKeyWAMRADDSSQQIJG-RFZPGFLSSA-N
MW231.04 g/mol
LogP2.23
Rot. Bonds2

About trans-(1R,2R)-2-(3-bromofuran-2-yl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(3-bromofuran-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 155978471) has the molecular formula C8H7BrO3 and a molecular weight of 231.04 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-bromofuran-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-bromofuran-2-yl)cyclopropane-1-carboxylic acid
PubChem CID155978471
Molecular FormulaC8H7BrO3
Molecular Weight231.04 g/mol
Exact Mass229.96
IUPAC Nametrans-(1R,2R)-2-(3-bromofuran-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1occc1Br
InChIInChI=1S/C8H7BrO3/c9-6-1-2-12-7(6)4-3-5(4)8(10)11/h1-2,4-5H,3H2,(H,10,11)/t4-,5-/m1/s1
InChIKeyWAMRADDSSQQIJG-RFZPGFLSSA-N
XLogP2.23
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-bromofuran-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(3-bromofuran-2-yl)cyclopropane-1-carboxylic acid (CID 155978471) is trans-(1R,2R)-2-(3-bromofuran-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(3-bromofuran-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(3-bromofuran-2-yl)cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1c1occc1Br.
What is the InChIKey of trans-(1R,2R)-2-(3-bromofuran-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is WAMRADDSSQQIJG-RFZPGFLSSA-N. The full InChI is InChI=1S/C8H7BrO3/c9-6-1-2-12-7(6)4-3-5(4)8(10)11/h1-2,4-5H,3H2,(H,10,11)/t4-,5-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-bromofuran-2-yl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(3-bromofuran-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 231.04 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-bromofuran-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 155978471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).